CAS 1255147-00-2

5-(4-Ethylphenyl)-1,3-cyclohexanedione

Description:

5-(4-Ethylphenyl)-1,3-cyclohexanedione is an organic compound characterized by its unique structure, which features a cyclohexanedione core substituted with a 4-ethylphenyl group. This compound typically exhibits a solid state at room temperature and is likely to be a pale yellow to white crystalline substance. Its molecular structure includes two carbonyl (C=O) groups, which contribute to its reactivity and potential applications in organic synthesis. The presence of the ethylphenyl substituent enhances its hydrophobic characteristics, influencing its solubility in organic solvents while limiting its solubility in polar solvents. Additionally, the compound may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Its synthesis often involves multi-step organic reactions, and it may serve as an intermediate in the production of more complex molecules. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.

Formula: C₁₄H₁₆O₂

InChI: InChI=1S/C14H16O2/c1-2-10-3-5-11(6-4-10)12-7-13(15)9-14(16)8-12/h3-6,12H,2,7-9H2,1H3

InChI key: InChIKey=UWYXYUUAKSBXRP-UHFFFAOYSA-N

SMILES: O=C1CC(CC(=O)C1)C2=CC=C(CC)C=C2

Synonyms:

• 1,3-Cyclohexanedione, 5-(4-ethylphenyl)-
• 5-(4-Ethylphenyl)-1,3-cyclohexanedione